N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine

C18H21FN2 — CID 79721454

IUPACN-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(C2CCCc3cccnc32)c1
InChIInChI=1S/C18H21FN2/c1-2-20-12-13-8-9-17(19)16(11-13)15-7-3-5-14-6-4-10-21-18(14)15/h4,6,8-11,15,20H,2-3,5,7,12H2,1H3
InChIKeyIBEFKIWDOSCYTQ-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.80
Rot. Bonds4

About N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine

N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine (PubChem CID 79721454) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine
PubChem CID79721454
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine
SMILESCCNCc1ccc(F)c(C2CCCc3cccnc32)c1
InChIInChI=1S/C18H21FN2/c1-2-20-12-13-8-9-17(19)16(11-13)15-7-3-5-14-6-4-10-21-18(14)15/h4,6,8-11,15,20H,2-3,5,7,12H2,1H3
InChIKeyIBEFKIWDOSCYTQ-UHFFFAOYSA-N
XLogP3.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine (CID 79721454) is N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine is CCNCc1ccc(F)c(C2CCCc3cccnc32)c1.
What is the InChIKey of N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine?
The InChIKey is IBEFKIWDOSCYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-2-20-12-13-8-9-17(19)16(11-13)15-7-3-5-14-6-4-10-21-18(14)15/h4,6,8-11,15,20H,2-3,5,7,12H2,1H3.
What are the key properties of N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine?
N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine has a molecular weight of 284.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-3-(5,6,7,8-tetrahydroquinolin-8-yl)phenyl]methyl]ethanamine is sourced from PubChem (CID 79721454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).